1-(4-ethoxy-3-methylphenyl)-N-methylethanamine

C12H19NO — CID 82491203

IUPAC1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(C)NC)cc1C
InChIInChI=1S/C12H19NO/c1-5-14-12-7-6-11(8-9(12)2)10(3)13-4/h6-8,10,13H,5H2,1-4H3
InChIKeyFBQJXSJDIMEXDG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine

1-(4-ethoxy-3-methylphenyl)-N-methylethanamine (PubChem CID 82491203) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
PubChem CID82491203
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(C)NC)cc1C
InChIInChI=1S/C12H19NO/c1-5-14-12-7-6-11(8-9(12)2)10(3)13-4/h6-8,10,13H,5H2,1-4H3
InChIKeyFBQJXSJDIMEXDG-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
2-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960687
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine (CID 82491203) is 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine is CCOc1ccc(C(C)NC)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine?
The InChIKey is FBQJXSJDIMEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-14-12-7-6-11(8-9(12)2)10(3)13-4/h6-8,10,13H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine?
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 82491203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).